Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1073.52965
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01071 b
(cm-1)
0.00574 c
(cm-1)
0.00373
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.04297
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.21800
Eigenvectors
#
X
Y
Z
1
0.00000
0.05388
-0.00054
2
0.00000
-0.05388
-0.00054
3
0.00000
-0.00024
0.03554
4
0.00000
0.00157
-0.03194
5
0.00000
-0.00158
-0.03195
6
0.00000
0.00025
0.03554
7
0.00000
-0.05773
0.01389
8
0.00000
0.06356
-0.00663
9
0.00000
-0.06356
-0.00664
10
0.00000
0.05773
0.01390
11
0.00000
-0.01062
-0.00674
12
0.00000
0.00672
0.02704
13
0.00000
-0.00672
0.02703
14
0.00000
0.01061
-0.00674
15
0.00000
0.06742
-0.00743
16
0.00000
-0.06742
-0.00743
17
0.00000
0.00894
-0.06010
18
0.00000
0.00300
0.04571
19
0.00000
-0.00300
0.04571
20
0.00000
-0.00894
-0.06010
21
0.00000
-0.06901
-0.02133
22
0.00000
0.07846
0.01220
23
0.00000
-0.07846
0.01220
24
0.00000
0.06902
-0.02133
25
0.00000
0.00321
-0.00111
26
0.00000
-0.00321
-0.00112
27
0.00000
0.00119
0.00350
28
0.00000
-0.00119
0.00350
29
0.00000
0.00965
-0.14669
30
0.00000
0.00304
0.13789
31
0.00000
-0.00304
0.13790
32
0.00000
-0.00965
-0.14669
33
0.00000
-0.11294
-0.04792
34
0.00000
0.11582
0.03404
35
0.00000
-0.11584
0.03404
36
0.00000
0.11295
-0.04792
37
0.00000
-0.00149
0.00196
38
0.00000
-0.03202
0.00360
39
0.00000
0.03203
0.00359
40
0.00000
0.00149
0.00195
41
0.00000
0.00203
-0.00712
42
0.00000
-0.00204
-0.00713